Improved algorithm for geometry optimisation using damped molecular dynamics

  • Authors:

  • M. I. J. Probert

  • Affiliations:

  • Department of Physics, University of York, Heslington, York YO10 5DD, UK

  • Venue:
  • Journal of Computational Physics
  • Year:
  • 2003

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Abstract

We present an extension of the remeshed smooth particle hydrodynamics (RSPH) method for the simulation of chemically reactive flows. The governing conservation equations are solved in a Lagrangian fashion, while particle locations, which are distorted ...